N-[N'-(3-oxidanylpropyl)carbamimidoyl]-2-[2-(4-pentoxyphenyl)-5-phenyl-pyrrol-1-yl]ethanamide

Systemtic Name: N-[N'-(3-oxidanylpropyl)carbamimidoyl]-2-[2-(4-pentoxyphenyl)-5-phenyl-pyrrol-1-yl]ethanamide Openeye Name: N-[N'-(3-hydroxypropyl)carbamimidoyl]-2-[2-(4-pentoxyphenyl)-5-phenyl-pyrrol-1-yl]acetamide CAS Name: N-[amino(3-hydroxypropylimino)methyl]-2-[2-(4-pentoxyphenyl)-5-phenyl-1-pyrrolyl]acetamide IUPAC Name: N-[N'-(3-hydroxypropyl)carbamimidoyl]-2-[2-(4-pentoxyphenyl)-5-phenylpyrrol-1-yl]acetamide Traditional Name: 2-[2-(4-amoxyphenyl)-5-phenyl-pyrrol-1-yl]-N-[N'-(3-hydroxypropyl)amidino]acetamide Formula: C27H34N4O3 MolecularWeight: 462.58386

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=C(C=C1)C2=CC=C(N2CC(=O)NC(=NCCCO)N)C3=CC=CC=C3

Isomeric SMILES

CCCCCOC1=CC=C(C=C1)C2=CC=C(N2CC(=O)NC(=NCCCO)N)C3=CC=CC=C3

InChI

InChI=1S/C27H34N4O3/c1-2-3-7-19-34-23-13-11-22(12-14-23)25-16-15-24(21-9-5-4-6-10-21)31(25)20-26(33)30-27(28)29-17-8-18-32/h4-6,9-16,32H,2-3,7-8,17-20H2,1H3,(H3,28,29,30,33)